UCSF

ZINC09993536

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 1.7 -57.6 2 8 1 89 469.558 10
Mid Mid (pH 6-8) 2.28 1.62 -68.96 1 8 1 86 469.558 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )